SCHEMBL1645816

SCHEMBL1645816

CON1CCCCC1c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.43
ERBB2 P04626 7/20 0.43
ERBB3 P21860 2/20 0.43
KDR P35968 2/20 0.43
PTK2 Q05397 2/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADRA1A P35348 2/20 0.38
PPID Q08752 1/20 0.37
PPIG Q13427 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8901685 0.86 NPC1 (0.40) DRD2SLC6A4MEN1KMT2AHCRTR1
Hydrochloric Acid SCHEMBL8471990 0.85 HCRTR1 (0.35) EGFRERBB2ERBB3KDRPTK2
SCHEMBL7812867 0.80 CHRNB2 (0.52) EGFRERBB2DRD2SLC6A4HRH3
SCHEMBL17513586 0.77 TSHR (0.38)
SCHEMBL9273128 0.74 CHRNB2 (0.53)
SCHEMBL22462980 0.74 KDM4E (0.47)
SCHEMBL10681131 0.73 EGFR (0.41) EGFRERBB2DRD2SLC6A4KDM1A
SCHEMBL24774496 0.72 DRD2 (0.43) EGFRERBB2ERBB3KDRPTK2
SCHEMBL10377064 0.72 SIGMAR1 (0.41) EGFRERBB2DRD2SLC6A4KDM1A
SCHEMBL28748573 0.70 CHRNA7 (0.44) SLC6A4HCRTR1HCRTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-04-28 US disclosed
EP-1519917-A4 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS UNIV COLUMBIA (US) 2006-05-17 EP disclosed
EP-1519917-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2005-04-06 EP disclosed
WO-2003096978-A2 CARBON-11 AND FLUORINE-18 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR THE BRAIN SEROTONIN TRANSPORTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-11-27 WO disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110097274-A1 Carbon-11 and fluorine-18 labeled radioligands for positron emission tomography (PET) imaging for the brain serotonin transporters SLC6A4, SLC18A2, SLC6A2 EGFR 1505/4885ERBB2 3478/4885ERBB3 3454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.